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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF379_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49232865; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF36_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49193996; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168650; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168467; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49226498; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49176279; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF248_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49174556; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85674777; Eh | |||
 | 10-Feb-2022 | imazalil_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10384550; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF515_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01387338; Eh |
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